N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C22H15ClF3N5O — CID 171520632

IUPACN-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cnc2c(Cl)c(N)ncc2c1
InChIInChI=1S/C22H15ClF3N5O/c1-11-2-3-15(31-21(32)17-7-14(4-5-28-17)22(24,25)26)8-16(11)12-6-13-10-30-20(27)18(23)19(13)29-9-12/h2-10H,1H3,(H2,27,30)(H,31,32)
InChIKeyNCBBIZGMWRXQGP-UHFFFAOYSA-N
MW457.84 g/mol
LogP5.51
Rot. Bonds3

About N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 171520632) has the molecular formula C22H15ClF3N5O and a molecular weight of 457.84 g/mol. Its IUPAC name is N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID171520632
Molecular FormulaC22H15ClF3N5O
Molecular Weight457.84 g/mol
Exact Mass457.09
IUPAC NameN-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cnc2c(Cl)c(N)ncc2c1
InChIInChI=1S/C22H15ClF3N5O/c1-11-2-3-15(31-21(32)17-7-14(4-5-28-17)22(24,25)26)8-16(11)12-6-13-10-30-20(27)18(23)19(13)29-9-12/h2-10H,1H3,(H2,27,30)(H,31,32)
InChIKeyNCBBIZGMWRXQGP-UHFFFAOYSA-N
XLogP5.51
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide
CID 171520631
4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
CID 171520659
N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 155253604
N-[3-(3-amino-5-fluoroisoquinolin-7-yl)-4-methylphenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 171520610
N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565448
N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 164572625
N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridine-2-carboxamide
CID 167511653
N-[3-[3-amino-5-(2-hydroxyethoxy)isoquinolin-7-yl]-4-methylphenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 171520674
N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 135133415
N-[4-methyl-3-[12-[(3-methyl-4-pyridinyl)imino]-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 169075003
4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 171520632) is N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cnc2c(Cl)c(N)ncc2c1.
What is the InChIKey of N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NCBBIZGMWRXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5O/c1-11-2-3-15(31-21(32)17-7-14(4-5-28-17)22(24,25)26)8-16(11)12-6-13-10-30-20(27)18(23)19(13)29-9-12/h2-10H,1H3,(H2,27,30)(H,31,32).
What are the key properties of N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 457.84 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 171520632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).